化学模拟在反应堆水化学课程中的应用

高温高压化学反应对反应堆设备的可靠性、反应堆性能的控制、核电站运行的安全持久性等具有重要影响,但相关实验难以在高校教学中开展。借助PHREEQC程序及最新热力学数据,建立了反应堆一回路硼酸-氢氧化锂添加配比、腐蚀沉淀物产生及二回路pH控制方案的化学反应模型。运用化学模拟来教学,促进了学生对所学知识的理解与掌握,丰富了现代教学方法。相关模型对核电企业的培训也具有一定参考价值。     

N掺杂对α-石墨炔表面吸附H_2O,H,O和OH的电子性质和磁性的影响

石墨炔是一种新型的二维(2D)碳的同素异形体,炔键单元的高活性使其在小分子吸附方面相比石墨烯更具优势.本文基于密度泛函理论(DFT),研究了H_2O和H、O及OH分别在原始的和掺杂了N原子的α-石墨炔上的相互作用.研究结果表明,N掺杂和小分子吸附能够改变α-石墨炔的电子结构和磁性. N原子掺杂后α-石墨炔对小分子的吸附能力明显增强. H、O原子和OH吸附在N原子掺杂体系前后表现出明显的磁性差异:H原子和OH吸附在纯净的α-石墨炔上体系显示磁性,N原子掺杂后,磁性消失;而O原子则是吸附在纯净的α-石墨炔上未表现出磁性,N原子掺杂后,体系出现磁性.此外,α-石墨炔对水分子的吸附作用较弱,受范德瓦耳斯作用影响较大,属于物理吸附.本研究将为α-石墨炔中N杂质检测以及α-石墨炔基气体传感器的设计研究提供新的思路.     

聚合物微环谐振器电光开关阵列的优化与模拟

利用耦合模理论、电光调制理论和微环谐振理论,提出了一个聚合物微环谐振器电光开关阵列的模型.该器件由N-1个微环和N条平行信道构成,在微环上施加不同方式的驱动电压,可以实现N条信道的开关功能.以7微环8信道结构为例,在1550 nm谐振波长下对该器件进行了优化和模拟.结果表明,微环波导芯的截面尺寸为1.7μm×1.7μm,波导芯与电极间的缓冲层厚度为2.5 μm,电极厚度为0.2μm,微环半径为13.76 μm,微环与信道间的耦合间距为0.14μm,输出光谱的3 dB带宽约为0.05 nm,开关电压约为8.1 V左右,插入损耗约为0.23～4.6 dB,串扰小于-20 dB.     

含甲缩醛柴油喷雾和燃烧排放特性的试验研究

应用激光相位多普勒技术测量了含甲缩醛柴油喷雾的速度场和粒径场,在直喷式柴油机上研究了该含氧混合燃油的燃烧排放特性。结果表明,添加甲缩醛可改善柴油的雾化,增加喷雾轴线上的粒子速度,但减小喷雾锥角;同时以远大于其加入的比例降低柴油机排气烟度,但对氮氧化物的排放影响不大。柴油机采用甲缩醛作燃油添加剂时,需改造燃油系统。     

Structures of Pt clusters on graphene doped with nitrogen, boron, and silicon: a theoretical study

The structures of Pt clusters on nitrogen-,boron-,silicon-doped graphenes are theoretically studied using densityfunctional theory.These dopants(nitrogen,boron and silicon) each do not induce a local curvature in the graphene and the doped graphenes all retain their planar form.The formation energy of the silicon-graphene system is lower than those of the nitrogen-,boron-doped graphenes,indicating that the silicon atom is easier to incorporate into the graphene.All the substitutional impurities enhance the interaction between the Pt atom and the graphene.The adsorption energy of a Pt adsorbed on the silicon-doped graphene is much higher than those on the nitrogen-and boron-doped graphenes.The doped silicon atom can provide more charges to enhance the Pt-graphene interaction and the formation of Pt clusters each with a large size.The stable structures of Pt clusters on the doped-graphenes are dimeric,triangle and tetrahedron with the increase of the Pt coverage.Of all the studied structures,the tetrahedron is the most stable cluster which has the least influence on the planar surface of doped-graphene.     

侧向局部加热腔体内对流时空结构的研究

通过二维流体力学基本方程组的数值模拟,研究了普朗特数Pr=6.949时侧向局部加热腔体内水平温差驱动的自然对流。仔细观察腔体内水平流的入侵过程,发现在冷热流体交接面的上下部位同时出现了冷入侵流和热入侵流,并且在交汇处有破碎扰动波出现。揭示了周期性双局部对流结构,并发现在右壁面温度高于左壁面温度区域顶部有对流卷生成,对流卷随时间沿侧壁面向腔体下部移动,最后消失,同时又有新对流卷在该区域顶部生成,这种现象重复循环着。结果表明:在右壁面温度高于左壁面温度区域,热边界层厚度(θδ)随腔体高度增加而增大;在右壁面温度等于左壁面温度区域,θδ值随腔体高度增加而减小;并且格拉晓夫数(Gr)越大,θδ值越小。     

应用在线近红外光谱分析复烤前后原烟及片烟的质量特性

应用在2012年"中华"专用分拣复烤生产线中采集的7个产地的复烤前原烟和复烤后片烟的在线近红外光谱为试验资料,通过建立不同产地近红外光谱的投影分析模型,并结合方差及相关分析等,研究烟叶复烤前后的均一性及相似性等品质特征的变化,为客观的掌握烟叶原料质量及卷烟产品配方提供技术支撑。本研究结果表明,从数量庞大的在线近红外光谱中,按等间隔采样时间筛选约1万条左右用于建模分析可行,取样代表性充分;经人工分拣、打叶、复烤后的各产地烟叶近红外光谱的均一性提高幅度可达10%~35%,烟叶品质的均质化程度显著提高;同时复烤后各产地烟叶所体现的相似性关系亦发生了变化,从整体上其相似性显著降低,即由产地体现的风格品质差异显著提升,为优质卷烟的原料配方设计提供了更大空间,体现了我国烟草企业生产优质中式卷烟需要消耗大量财力、人力进行烟叶复烤加工的必要性。传统的化学分析等手段需要花费大量的时间和精力,难以对整个加工环节进行控制,近红外光谱技术以其快速、无损的优势,不仅能够实现待测样品成分含量等的实时检测与质量控制,而且应用生产过程中的大量近红外光谱,可以从多角度进行有关产品品质信息的充分挖掘,是一种在众多行业特别是农产品和食品加工行业中极具应用前景的在线分析检测技术。     

空间用GaN功率器件单粒子烧毁效应激光定量模拟技术研究

利用飞秒脉冲激光对氮化镓(GaN)功率器件进行单粒子烧毁效应定量评估技术研究,针对器件结构建立脉冲激光有效能量传输模型,理论计算了激光有效能量与重离子线性能量传输(LET)的等效关系并开展了试验验证.考虑器件材料反射率与吸收系数对激光的影响,针对介质层界面间的激光多次反射进行参数修正,减小有源区有效能量计算误差.选择一款氮化镓高电子迁移率晶体管(GaN HEMT)与一款肖特基势垒二极管(SBD)功率器件作为典型案例,分别开展飞秒脉冲激光正面与背部辐照试验,计算诱发单粒子烧毁的有效能量,并得到不同入射激光波长的烧毁等效LET阈值,对比了模型理论计算值与实际测量值.同时,研究结果对材料参数未知的GaN功率器件,提供了正面与背部辐照模型的激光试验波长选择参考.该工作将为激光定量评估空间用GaN等宽禁带半导体器件的单粒子烧毁效应机理研究及加固设计与验证提供技术支撑.     

Effective sideband cooling in an ytterbium optical lattice clock

Sideband cooling is a key technique for improving the performance of optical atomic clocks by preparing cold atoms and single ions into the ground vibrational state. In this work, we demonstrate detailed experimental research on pulsed Raman sideband cooling in a $^{171}$Yb optical lattice clock. A sequence comprised of interleaved 578 nm cooling pulses resonant on the 1st-order red sideband and 1388 nm repumping pulses is carried out to transfer atoms into the motional ground state. We successfully decrease the axial temperature of atoms in the lattice from 6.5 μK to less than 0.8 μK in the trap depth of 24 μK, corresponding to an average axial motional quantum number $\langle n_z\rangle<0.03$. Rabi oscillation spectroscopy is measured to evaluate the effect of sideband cooling on inhomogeneous excitation. The maximum excitation fraction is increased from 0.8 to 0.86, indicating an enhancement in the quantum coherence of the ensemble. Our work will contribute to improving the instability and uncertainty of Yb lattice clocks.     

Quantum oscillations in a hexagonal boron nitride-supported single crystalline InSb nanosheet

A gated Hall-bar device is made from an epitaxially grown, free-standing InSb nanosheet on a hexagonal boron nitride (hBN) dielectric/graphite gate structure and the electron transport properties in the InSb nanosheet are studied by gate-transfer characteristic and magnetotransport measurements at low temperatures. The measurements show that the carriers in the InSb nanosheet are of electrons and the carrier density in the nanosheet can be highly efficiently tuned by the graphite gate. The mobility of the electrons in the InSb nanosheet is extracted from low-field magneotransport measurements and a value of the mobility exceeding $\sim 1.8\times10^4$ cm$^{2}\cdot$V$^{-1}\cdot$s$^{-1}$ is found. High-field magentotransport measurements show well-defined Shubnikov-de Haas (SdH) oscillations in the longitudinal resistance of the InSb nanosheet. Temperature-dependent measurements of the SdH oscillations are carried out and key transport parameters, including the electron effective mass $m^{\ast }\sim 0.028 m_{0}$ and the quantum lifetime $\tau \sim 0.046 $ ps, in the InSb nanosheet are extracted. It is for the first time that such experimental measurements have been reported for a free-standing InSb nanosheet and the results obtained indicate that InSb nanosheet/hBN/graphite gate structures can be used to develop advanced quantum devices for novel physics studies and for quantum technology applications.